Molecule

ID:136340

General Information
Structure
MolImage
Molecular Formula
C₅₇H₉₈O₆
Molecular Mass
879.38442
Exact Mass
878.73634086
Charge
0
InChI
InChI=1S/C57H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h16-21,25-30,54H,4-15,22-24,31-53H2,1-3H3
InChIKey
HBOQXIRUPVQLKX-UHFFFAOYSA-N
Canonic Smiles
CCCCC/C=C/C/C=C/CCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Isomeric Smiles
C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)C(OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)COC(=O)CCCCCCC/C=C/C/C=C/CCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
19.42003
LogD (pH = 7.4)
19.42003
Log P
19.42003
Molar Refractivity
275.5959
Polarizability
106.63301
Polar Surface Area
78.9
Rotatable Bonds
50
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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